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cluster:73 [2020/07/13 10:53]
hmeij07 [Gromacs]
cluster:73 [2020/07/15 14:48]
hmeij07 [LAMMPS CPU/GPU]
Line 1054: Line 1054:
 [[https://dokuwiki.wesleyan.edu/doku.php?id=cluster:119|GPU version]] [[https://dokuwiki.wesleyan.edu/doku.php?id=cluster:119|GPU version]]
  
-  * program: mcc, math, mathematica (v 11.0.1) +  * program: mcc, math, mathematica (v 12.1) 
-  * install dir: /share/apps/CENTOS6/mathematica/11.0.1+  * install dir: /share/apps/CENTOS6/mathematica/12.1
   * docs: on the web   * docs: on the web
   * www:  http://www.wolfram.com/mathematica/   * www:  http://www.wolfram.com/mathematica/
 +  * Campus wide license, use any queue.
  
   * Parallel kernels   * Parallel kernels
Line 1064: Line 1065:
     * http://reference.wolfram.com/mathematica/guide/ParallelComputing.html     * http://reference.wolfram.com/mathematica/guide/ParallelComputing.html
  
-Job submissions should go to queue //mathematica// which containes licensed nodes (all the hp12 nodes for now).+
  
 ====== Eigen ===== ====== Eigen =====
Line 1248: Line 1249:
  
 ====== LAMMPS CPU/GPU ====== ====== LAMMPS CPU/GPU ======
 +
 +** CPU ONLY v2 CentOS7 **
 +
 +  * /share/apps/CENTOS7/lammps/3Mar2020
 +    * lmp_serial, lmp_mpi
 +  * latest openmpi version
 +  * consult this file for packages installed and compilations
 +    * /share/apps/CENTOS7/lammps/03Mar2020.install
 +    * should work only on exx96 and mwgpu queues
 +
 +<code>
 + export PATH=/share/apps/CENTOS7/openmpi/4.0.4/bin:$PATH
 + export LD_LIBRARY_PATH=/share/apps/CENTOS7/openmpi/4.0.4/lib:$LD_LIBRARY_PATH
 +</code>
  
 ** CPU ONLY ** ** CPU ONLY **
cluster/73.txt · Last modified: 2024/05/15 08:58 by hmeij07